structural formula
business number | 03yn |
---|---|
molecular formula | c22h42o3 |
molecular weight | 354.57 |
label |
[r-(z)]-12-hydroxy-9-octadecenoic acid butyl ester, n-butyl 12-hydroxyoleate, n-butyl 12-hydroxy-9-octadecenoate |
numbering system
cas number:151-13-3
mdl number:none
einecs number:205-785-5
rtecs number:none
brn number:none
pubchem id:none
physical property data
1. physical property data:
1. boiling point (ºc,normal pressure): 185ºc
2. flash point (ºc): 115
3. density (g/ml,55℃): 0.919
4. melting point (ºc): -10 ºc
toxicological data
none
ecological data
3. ecological data:
usually for water is not hazardous and materials should not be discharged into the surrounding environment without government permission.
molecular structure data
5. molecular property data:
1. molar refractive index:107.29
2. molar volume (m3/ mol):386.6
3. isotonic specific volume (90.2k): 933.4
4. surface tension (dyne/cm): 33.9
5. polarizability(10-24cm3):42.53
compute chemical data
4. calculated chemical data:
1. hydrophobic parameters calculate reference value (xlogp):7.3
2. hydrogen bonding number of donors: 1
3. hydrogen bonding number of receptors: 3
4. rotatable number of chemical bonds: 19
5. topological molecule polar surface area (tpsa): 46.5
6. heavy atoms quantity: 25
7. surface charge :0
8. complexity :312
9. isotope atomic number:0
10. determine the number of atomic stereocenters:1
11. uncertain number of atomic stereocenters:0
12. determine the number of stereocenters of chemical bonds:1
13. uncertain number of chemical bond stereocenters:0
14. number of covalent bond units: 1
properties and stability
stable under normal temperature and pressure.
storage method
seal and store in a dry and cool place.
synthesis method
none
purpose
none
family: arial; mso-hansi-font-family: arial; mso-bidi-font-family: arial”>uncertain number of atomic stereocenters:0
12. determine the number of stereocenters of chemical bonds:1
13. uncertain number of chemical bond stereocenters:0
14. number of covalent bond units: 1
properties and stability
stable under normal temperature and pressure.
storage method
seal and store in a dry and cool place.
synthesis method
none
purpose
none